2-(2-Cyclohexylamino-5-thiadiazolyl)-1-methyl-5nitroimidazole

HCID 21390861
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Basic information

Standard SMILES
Cn1c([N+](=O)[O-])cnc1C1=CNN(NC2CCCCC2)S1
InChIKey
JAXAOGSGMNRGIX-UHFFFAOYSA-N
Molecular formula
C12H18N6O2S
Average molar mass
310.38 g/mol
Monoisotopic mass
310.12119501

Names & identifiers

Preferred name
2-(2-Cyclohexylamino-5-thiadiazolyl)-1-methyl-5nitroimidazole
IUPAC
N-cyclohexyl-5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine

Names & synonyms

SCHEMBL11722968JAXAOGSGMNRGIX-UHFFFAOYSA-N2-(2-Cyclohexylamino-5-thiadiazolyl)-1-methyl-5nitroimidazole

Database identifiers

PubChem CID
21390861

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
21

Related reactions

4 records
New reaction record

Linked notes

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